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        <title>Vipster</title>
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<ol class="content-list">
<a href="#vipster">Module: vipster</a>
<li><a href="#Angle">Class: Angle</a></li>
<li><a href="#Bond">Class: Bond</a></li>
<li><a href="#ColVec">Class: ColVec</a></li>
<li><a href="#DataGrid2D_f">Class: DataGrid2D_f</a></li>
<li><a href="#DataGrid3D_f">Class: DataGrid3D_f</a></li>
<li><a href="#DataGrid3D_v">Class: DataGrid3D_v</a></li>
<li><a href="#DiffVec">Class: DiffVec</a></li>
<li><a href="#Dihedral">Class: Dihedral</a></li>
<li><a href="#Element">Class: Element</a></li>
<li><a href="#Fmt">Class: Fmt</a></li>
<li><a href="#KPoints">Class: KPoints</a></li>
<li><a href="#Mat">Class: Mat</a></li>
<li><a href="#Molecule">Class: Molecule</a></li>
<li><a href="#Overlap">Class: Overlap</a></li>
<li><a href="#Parameters">Variable: Parameters</a></li>
<li><a href="#PeriodicTable">Variable: PeriodicTable</a></li>
<li><a href="#Plugins">Module: Plugins</a></li>
<li><a href="#Presets">Variable: Presets</a></li>
<li><a href="#Properties">Class: Properties</a></li>
<li><a href="#Step">Class: Step</a></li>
<li><a href="#Vec">Class: Vec</a></li>
<li><a href="#readFile">Function: readFile</a></li>
<li><a href="#writeFile">Function: writeFile</a></li>
<li><a href="#writeString">Function: writeString</a></li>
</ol>



<div class="content-text">
<a class="anchor" id="vipster"></a>
<h1>Module: vipster</h1>
<p></p>
<h2>Members:</h2>
</div>


    <div class="content-text highlight">
        <a class="anchor" id="Angle"></a>
        <h2>Class: Angle</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at1"></a>
        <h3>Property: at1</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at2"></a>
        <h3>Property: at2</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at3"></a>
        <h3>Property: at3</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Bond"></a>
        <h2>Class: Bond</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at1"></a>
        <h3>Property: at1</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at2"></a>
        <h3>Property: at2</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="diff"></a>
        <h3>Property: diff</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="dist"></a>
        <h3>Property: dist</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="type"></a>
        <h3>Property: type</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="ColVec"></a>
        <h2>Class: ColVec</h2>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="DataGrid2D_f"></a>
        <h2>Class: DataGrid2D_f</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Extent2D"></a>
        <h3>Class: Extent2D</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Extent3D"></a>
        <h3>Class: Extent3D</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="cell"></a>
        <h3>Property: cell</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="extent"></a>
        <h3>Property: extent</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="name"></a>
        <h3>Property: name</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="origin"></a>
        <h3>Property: origin</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="shape"></a>
        <h3>Property: shape</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="size"></a>
        <h3>Property: size</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="DataGrid3D_f"></a>
        <h2>Class: DataGrid3D_f</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Extent2D"></a>
        <h3>Class: Extent2D</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Extent3D"></a>
        <h3>Class: Extent3D</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="cell"></a>
        <h3>Property: cell</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="extent"></a>
        <h3>Property: extent</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="name"></a>
        <h3>Property: name</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="origin"></a>
        <h3>Property: origin</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="shape"></a>
        <h3>Property: shape</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="size"></a>
        <h3>Property: size</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="DataGrid3D_v"></a>
        <h2>Class: DataGrid3D_v</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Extent2D"></a>
        <h3>Class: Extent2D</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Extent3D"></a>
        <h3>Class: Extent3D</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="cell"></a>
        <h3>Property: cell</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="extent"></a>
        <h3>Property: extent</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="name"></a>
        <h3>Property: name</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="origin"></a>
        <h3>Property: origin</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="shape"></a>
        <h3>Property: shape</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="size"></a>
        <h3>Property: size</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="DiffVec"></a>
        <h2>Class: DiffVec</h2>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Dihedral"></a>
        <h2>Class: Dihedral</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at1"></a>
        <h3>Property: at1</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at2"></a>
        <h3>Property: at2</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at3"></a>
        <h3>Property: at3</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at4"></a>
        <h3>Property: at4</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Element"></a>
        <h2>Class: Element</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="CPNL"></a>
        <h3>Property: CPNL</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="CPPP"></a>
        <h3>Property: CPPP</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="PWPP"></a>
        <h3>Property: PWPP</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Z"></a>
        <h3>Property: Z</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="bondcut"></a>
        <h3>Property: bondcut</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="col"></a>
        <h3>Property: col</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="covr"></a>
        <h3>Property: covr</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="m"></a>
        <h3>Property: m</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="vdwr"></a>
        <h3>Property: vdwr</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Fmt"></a>
        <h2>Class: Fmt</h2>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Crystal
            
            <br>
            
            
            
            
            <br>
            
            
            Alat
            
            <br>
            
            
            
            
            <br>
            
            
            Angstrom
            
            <br>
            
            
            
            
            <br>
            
            
            Bohr
            
            <br>
            
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Alat"></a>
        <h3>Instance: Alat</h3>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Crystal
            
            <br>
            
            
            
            
            <br>
            
            
            Alat
            
            <br>
            
            
            
            
            <br>
            
            
            Angstrom
            
            <br>
            
            
            
            
            <br>
            
            
            Bohr
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Angstrom"></a>
        <h3>Instance: Angstrom</h3>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Crystal
            
            <br>
            
            
            
            
            <br>
            
            
            Alat
            
            <br>
            
            
            
            
            <br>
            
            
            Angstrom
            
            <br>
            
            
            
            
            <br>
            
            
            Bohr
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Bohr"></a>
        <h3>Instance: Bohr</h3>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Crystal
            
            <br>
            
            
            
            
            <br>
            
            
            Alat
            
            <br>
            
            
            
            
            <br>
            
            
            Angstrom
            
            <br>
            
            
            
            
            <br>
            
            
            Bohr
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Crystal"></a>
        <h3>Instance: Crystal</h3>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Crystal
            
            <br>
            
            
            
            
            <br>
            
            
            Alat
            
            <br>
            
            
            
            
            <br>
            
            
            Angstrom
            
            <br>
            
            
            
            
            <br>
            
            
            Bohr
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="name"></a>
        <h3>Property: name</h3>
        
            
            
            <code>name(self: handle) -&gt; str</code>
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="KPoints"></a>
        <h2>Class: KPoints</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Discrete"></a>
        <h3>Class: Discrete</h3>
        
        
            <h4>Members:</h4>
            

    <div class="content-text highlight">
        <a class="anchor" id="Point"></a>
        <h4>Class: Point</h4>
        
        
            <h5>Members:</h5>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="pos"></a>
        <h5>Property: pos</h5>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="weight"></a>
        <h5>Property: weight</h5>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Points"></a>
        <h4>Class: Points</h4>
        
        
            <h5>Members:</h5>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="append"></a>
        <h5>Function: append</h5>
        
            
            
            <code>append(self: vipster.KPoints.Discrete.Points, x: vipster.KPoints.Discrete.Point) -&gt; None</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Add an item to the end of the list
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="clear"></a>
        <h5>Function: clear</h5>
        
            
            
            <code>clear(self: vipster.KPoints.Discrete.Points) -&gt; None</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Clear the contents
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="extend"></a>
        <h5>Function: extend</h5>
        
            
            
            <code>extend(*args, **kwargs)</code>
            
            <br>
            
            
            Overloaded function.
            
            <br>
            
            
            
            
            <br>
            
            
            1. extend(self: vipster.KPoints.Discrete.Points, L: vipster.KPoints.Discrete.Points) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            Extend the list by appending all the items in the given list
            
            <br>
            
            
            
            
            <br>
            
            
            2. extend(self: vipster.KPoints.Discrete.Points, L: Iterable) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            Extend the list by appending all the items in the given list
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="insert"></a>
        <h5>Function: insert</h5>
        
            
            
            <code>insert(self: vipster.KPoints.Discrete.Points, i: int, x: vipster.KPoints.Discrete.Point) -&gt; None</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Insert an item at a given position.
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="pop"></a>
        <h5>Function: pop</h5>
        
            
            
            <code>pop(*args, **kwargs)</code>
            
            <br>
            
            
            Overloaded function.
            
            <br>
            
            
            
            
            <br>
            
            
            1. pop(self: vipster.KPoints.Discrete.Points) -&gt; vipster.KPoints.Discrete.Point
            
            <br>
            
            
            
            
            <br>
            
            
            Remove and return the last item
            
            <br>
            
            
            
            
            <br>
            
            
            2. pop(self: vipster.KPoints.Discrete.Points, i: int) -&gt; vipster.KPoints.Discrete.Point
            
            <br>
            
            
            
            
            <br>
            
            
            Remove and return the item at index ``i``
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Properties"></a>
        <h4>Class: Properties</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            none
            
            <br>
            
            
            
            
            <br>
            
            
            crystal
            
            <br>
            
            
            
            
            <br>
            
            
            band
            
            <br>
            
            
            
            
            <br>
            
            
            contour
            
            <br>
            
        
        
            <h5>Members:</h5>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="band"></a>
        <h5>Instance: band</h5>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            none
            
            <br>
            
            
            
            
            <br>
            
            
            crystal
            
            <br>
            
            
            
            
            <br>
            
            
            band
            
            <br>
            
            
            
            
            <br>
            
            
            contour
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="contour"></a>
        <h5>Instance: contour</h5>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            none
            
            <br>
            
            
            
            
            <br>
            
            
            crystal
            
            <br>
            
            
            
            
            <br>
            
            
            band
            
            <br>
            
            
            
            
            <br>
            
            
            contour
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="crystal"></a>
        <h5>Instance: crystal</h5>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            none
            
            <br>
            
            
            
            
            <br>
            
            
            crystal
            
            <br>
            
            
            
            
            <br>
            
            
            band
            
            <br>
            
            
            
            
            <br>
            
            
            contour
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="name"></a>
        <h5>Property: name</h5>
        
            
            
            <code>name(self: handle) -&gt; str</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="none"></a>
        <h5>Instance: none</h5>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            none
            
            <br>
            
            
            
            
            <br>
            
            
            crystal
            
            <br>
            
            
            
            
            <br>
            
            
            band
            
            <br>
            
            
            
            
            <br>
            
            
            contour
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="kpoints"></a>
        <h4>Property: kpoints</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="properties"></a>
        <h4>Property: properties</h4>
        
        
    </div>


        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Fmt"></a>
        <h3>Class: Fmt</h3>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Gamma
            
            <br>
            
            
            
            
            <br>
            
            
            MPG
            
            <br>
            
            
            
            
            <br>
            
            
            Discrete
            
            <br>
            
        
        
            <h4>Members:</h4>
            

    <div class="content-text highlight">
        <a class="anchor" id="Discrete"></a>
        <h4>Instance: Discrete</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Gamma
            
            <br>
            
            
            
            
            <br>
            
            
            MPG
            
            <br>
            
            
            
            
            <br>
            
            
            Discrete
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Gamma"></a>
        <h4>Instance: Gamma</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Gamma
            
            <br>
            
            
            
            
            <br>
            
            
            MPG
            
            <br>
            
            
            
            
            <br>
            
            
            Discrete
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="MPG"></a>
        <h4>Instance: MPG</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            Gamma
            
            <br>
            
            
            
            
            <br>
            
            
            MPG
            
            <br>
            
            
            
            
            <br>
            
            
            Discrete
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="name"></a>
        <h4>Property: name</h4>
        
            
            
            <code>name(self: handle) -&gt; str</code>
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="MPG"></a>
        <h3>Class: MPG</h3>
        
        
            <h4>Members:</h4>
            

    <div class="content-text highlight">
        <a class="anchor" id="sx"></a>
        <h4>Property: sx</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="sy"></a>
        <h4>Property: sy</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="sz"></a>
        <h4>Property: sz</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="x"></a>
        <h4>Property: x</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="y"></a>
        <h4>Property: y</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="z"></a>
        <h4>Property: z</h4>
        
        
    </div>


        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="active"></a>
        <h3>Property: active</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="discrete"></a>
        <h3>Property: discrete</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="mpg"></a>
        <h3>Property: mpg</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Mat"></a>
        <h2>Class: Mat</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="determinant"></a>
        <h3>Function: determinant</h3>
        
            
            
            <code>determinant(self: vipster.Mat) -&gt; float</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="inverse"></a>
        <h3>Function: inverse</h3>
        
            
            
            <code>inverse(self: vipster.Mat) -&gt; vipster.Mat</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="transpose"></a>
        <h3>Function: transpose</h3>
        
            
            
            <code>transpose(self: vipster.Mat) -&gt; vipster.Mat</code>
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Molecule"></a>
        <h2>Class: Molecule</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="kpoints"></a>
        <h3>Property: kpoints</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="name"></a>
        <h3>Property: name</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="newStep"></a>
        <h3>Function: newStep</h3>
        
            
            
            <code>newStep(*args, **kwargs)</code>
            
            <br>
            
            
            Overloaded function.
            
            <br>
            
            
            
            
            <br>
            
            
            1. newStep(self: vipster.Molecule) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            2. newStep(self: vipster.Molecule, step: vipster.Step) -&gt; vipster.Step
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="nstep"></a>
        <h3>Property: nstep</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="pte"></a>
        <h3>Property: pte</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Overlap"></a>
        <h2>Class: Overlap</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at1"></a>
        <h3>Property: at1</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="at2"></a>
        <h3>Property: at2</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="periodic"></a>
        <h3>Property: periodic</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Parameters"></a>
        <h2>Variable: Parameters</h2>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="PeriodicTable"></a>
        <h2>Variable: PeriodicTable</h2>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Plugins"></a>
        <h2>Module: Plugins</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="cpi"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: cpi</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="cube"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: cube</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="dmp"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: dmp</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="json"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: json</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="lmp"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: lmp</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="orca"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: orca</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="pos"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: pos</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="pwi"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: pwi</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="pwo"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: pwo</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="xsf"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: xsf</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="xyz"></a>
        <h3>&lt;class &#39;vipster.__Plugin&#39;&gt;: xyz</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Presets"></a>
        <h2>Variable: Presets</h2>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Properties"></a>
        <h2>Class: Properties</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Flag"></a>
        <h3>Class: Flag</h3>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            FixX
            
            <br>
            
            
            
            
            <br>
            
            
            FixY
            
            <br>
            
            
            
            
            <br>
            
            
            FixZ
            
            <br>
            
            
            
            
            <br>
            
            
            Hidden
            
            <br>
            
        
        
            <h4>Members:</h4>
            

    <div class="content-text highlight">
        <a class="anchor" id="FixX"></a>
        <h4>Instance: FixX</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            FixX
            
            <br>
            
            
            
            
            <br>
            
            
            FixY
            
            <br>
            
            
            
            
            <br>
            
            
            FixZ
            
            <br>
            
            
            
            
            <br>
            
            
            Hidden
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="FixY"></a>
        <h4>Instance: FixY</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            FixX
            
            <br>
            
            
            
            
            <br>
            
            
            FixY
            
            <br>
            
            
            
            
            <br>
            
            
            FixZ
            
            <br>
            
            
            
            
            <br>
            
            
            Hidden
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="FixZ"></a>
        <h4>Instance: FixZ</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            FixX
            
            <br>
            
            
            
            
            <br>
            
            
            FixY
            
            <br>
            
            
            
            
            <br>
            
            
            FixZ
            
            <br>
            
            
            
            
            <br>
            
            
            Hidden
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Hidden"></a>
        <h4>Instance: Hidden</h4>
        
            
            
            <code>Members:</code>
            
            <br>
            
            
            
            
            <br>
            
            
            FixX
            
            <br>
            
            
            
            
            <br>
            
            
            FixY
            
            <br>
            
            
            
            
            <br>
            
            
            FixZ
            
            <br>
            
            
            
            
            <br>
            
            
            Hidden
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="name"></a>
        <h4>Property: name</h4>
        
            
            
            <code>name(self: handle) -&gt; str</code>
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="charge"></a>
        <h3>Property: charge</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="flags"></a>
        <h3>Property: flags</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="forces"></a>
        <h3>Property: forces</h3>
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Step"></a>
        <h2>Class: Step</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="Atom"></a>
        <h3>Class: Atom</h3>
        
        
            <h4>Members:</h4>
            

    <div class="content-text highlight">
        <a class="anchor" id="coord"></a>
        <h4>Property: coord</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="name"></a>
        <h4>Property: name</h4>
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="properties"></a>
        <h4>Property: properties</h4>
        
        
    </div>


        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="asFmt"></a>
        <h3>Function: asFmt</h3>
        
            
            
            <code>asFmt(self: vipster.Step, fmt: vipster.Fmt) -&gt; Vipster::StepMutable&lt;Vipster::detail::Formatter&lt;Vipster::detail::AtomList&gt; &gt;</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="comment"></a>
        <h3>Property: comment</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="delAtom"></a>
        <h3>Function: delAtom</h3>
        
            
            
            <code>delAtom(self: vipster.Step, i: int) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="enableCell"></a>
        <h3>Function: enableCell</h3>
        
            
            
            <code>enableCell(self: vipster.Step, val: bool) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="fmt"></a>
        <h3>Property: fmt</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getBonds"></a>
        <h3>Function: getBonds</h3>
        
            
            
            <code>getBonds(self: vipster.Step, update: bool = True) -&gt; vipster.__BondVector__</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getCellDim"></a>
        <h3>Function: getCellDim</h3>
        
            
            
            <code>getCellDim(self: vipster.Step, arg0: vipster.Fmt) -&gt; float</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getCellVec"></a>
        <h3>Function: getCellVec</h3>
        
            
            
            <code>getCellVec(self: vipster.Step) -&gt; vipster.Mat</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getCenter"></a>
        <h3>Function: getCenter</h3>
        
            
            
            <code>getCenter(self: vipster.Step, fmt: vipster.Fmt, com: bool) -&gt; vipster.Vec</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getCom"></a>
        <h3>Function: getCom</h3>
        
            
            
            <code>getCom(*args, **kwargs)</code>
            
            <br>
            
            
            Overloaded function.
            
            <br>
            
            
            
            
            <br>
            
            
            1. getCom(self: vipster.Step) -&gt; vipster.Vec
            
            <br>
            
            
            
            
            <br>
            
            
            2. getCom(self: vipster.Step, fmt: vipster.Fmt) -&gt; vipster.Vec
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getOverlaps"></a>
        <h3>Function: getOverlaps</h3>
        
            
            
            <code>getOverlaps(self: vipster.Step) -&gt; vipster.__OverlapVector__</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getPTE"></a>
        <h3>Function: getPTE</h3>
        
            
            
            <code>getPTE(self: vipster.Step) -&gt; vipster.__PeriodicTable</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getTopology"></a>
        <h3>Function: getTopology</h3>
        
            
            
            <code>getTopology(self: vipster.Step, angles: bool = True, dihedrals: bool = True, impropers: bool = True) -&gt; Tuple[vipster.__AngleVector__, vipster.__DihedralVector__, vipster.__DihedralVector__]</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="getTypes"></a>
        <h3>Function: getTypes</h3>
        
            
            
            <code>getTypes(self: vipster.Step) -&gt; vipster.__StrVector</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="hasCell"></a>
        <h3>Property: hasCell</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modAlign"></a>
        <h3>Function: modAlign</h3>
        
            
            
            <code>modAlign(self: vipster.Step, step_dir: int, target_dir: int) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modCrop"></a>
        <h3>Function: modCrop</h3>
        
            
            
            <code>modCrop(self: vipster.Step) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modMirror"></a>
        <h3>Function: modMirror</h3>
        
            
            
            <code>modMirror(self: vipster.Step, axis1: vipster.Vec, axis1: vipster.Vec, shift: vipster.Vec = Vec[0.0, 0.0, 0.0]) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modMultiply"></a>
        <h3>Function: modMultiply</h3>
        
            
            
            <code>modMultiply(self: vipster.Step, x: int, y: int, z: int) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modReshape"></a>
        <h3>Function: modReshape</h3>
        
            
            
            <code>modReshape(self: vipster.Step, newMat: vipster.Mat, newCdm: float, cdmFmt: vipster.Fmt) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modRotate"></a>
        <h3>Function: modRotate</h3>
        
            
            
            <code>modRotate(self: vipster.Step, angle: float, axis: vipster.Vec, shift: vipster.Vec = Vec[0.0, 0.0, 0.0]) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modShift"></a>
        <h3>Function: modShift</h3>
        
            
            
            <code>modShift(self: vipster.Step, shift: vipster.Vec, factor: float = 1.0) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="modWrap"></a>
        <h3>Function: modWrap</h3>
        
            
            
            <code>modWrap(self: vipster.Step) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="nat"></a>
        <h3>Property: nat</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="newAtom"></a>
        <h3>Function: newAtom</h3>
        
            
            
            <code>newAtom(*args, **kwargs)</code>
            
            <br>
            
            
            Overloaded function.
            
            <br>
            
            
            
            
            <br>
            
            
            1. newAtom(self: vipster.Step, name: str = &#39;&#39;, coord: vipster.Vec = Vec[0.0, 0.0, 0.0], properties: vipster.Properties = &lt;vipster.Properties object at 0x7fb4b1ba34b0&gt;) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            2. newAtom(self: vipster.Step, at: vipster.Step.Atom) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            3. newAtom(self: vipster.Step, at: Vipster::detail::Formatter&lt;Vipster::detail::AtomList&gt;::AtomView&lt;false&gt;) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            4. newAtom(self: vipster.Step, at: Vipster::detail::Selection&lt;Vipster::detail::AtomList&gt;::AtomView&lt;false&gt;) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            5. newAtom(self: vipster.Step, at: Vipster::detail::Selection&lt;Vipster::detail::Formatter&lt;Vipster::detail::AtomList&gt; &gt;::AtomView&lt;false&gt;) -&gt; None
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="newAtoms"></a>
        <h3>Function: newAtoms</h3>
        
            
            
            <code>newAtoms(*args, **kwargs)</code>
            
            <br>
            
            
            Overloaded function.
            
            <br>
            
            
            
            
            <br>
            
            
            1. newAtoms(self: vipster.Step, i: int) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            2. newAtoms(self: vipster.Step, step: vipster.Step) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            3. newAtoms(self: vipster.Step, step: Vipster::StepMutable&lt;Vipster::detail::Formatter&lt;Vipster::detail::AtomList&gt; &gt;) -&gt; None
            
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            <br>
            
            
            4. newAtoms(self: vipster.Step, step: Vipster::StepMutable&lt;Vipster::detail::Selection&lt;Vipster::detail::AtomList&gt; &gt;) -&gt; None
            
            <br>
            
            
            
            
            <br>
            
            
            5. newAtoms(self: vipster.Step, step: Vipster::StepMutable&lt;Vipster::detail::Selection&lt;Vipster::detail::Formatter&lt;Vipster::detail::AtomList&gt; &gt; &gt;) -&gt; None
            
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    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="ntyp"></a>
        <h3>Property: ntyp</h3>
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="select"></a>
        <h3>Function: select</h3>
        
            
            
            <code>select(self: vipster.Step, selection: str) -&gt; Vipster::StepMutable&lt;Vipster::detail::Selection&lt;Vipster::detail::AtomList&gt; &gt;</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="setBonds"></a>
        <h3>Function: setBonds</h3>
        
            
            
            <code>setBonds(self: vipster.Step, overlap_only: bool = False) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="setCellDim"></a>
        <h3>Function: setCellDim</h3>
        
            
            
            <code>setCellDim(self: vipster.Step, cdm: float, fmt: vipster.Fmt, scale: bool = False) -&gt; None</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="setCellVec"></a>
        <h3>Function: setCellVec</h3>
        
            
            
            <code>setCellVec(self: vipster.Step, vec: vipster.Mat, scale: bool = False) -&gt; None</code>
            
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    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="setFmt"></a>
        <h3>Function: setFmt</h3>
        
            
            
            <code>setFmt(self: vipster.Step, fmt: vipster.Fmt, scale: bool = True) -&gt; None</code>
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="Vec"></a>
        <h2>Class: Vec</h2>
        
        
            <h3>Members:</h3>
            

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="cross"></a>
        <h3>Function: cross</h3>
        
            
            
            <code>cross(self: vipster.Vec, arg0: vipster.Vec) -&gt; vipster.Vec</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="dot"></a>
        <h3>Function: dot</h3>
        
            
            
            <code>dot(self: vipster.Vec, arg0: vipster.Vec) -&gt; float</code>
            
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    </div>

    <div class="content-text highlight highlight-nested">
        <a class="anchor" id="len"></a>
        <h3>Function: len</h3>
        
            
            
            <code>len(self: vipster.Vec) -&gt; float</code>
            
            <br>
            
        
        
    </div>


        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="readFile"></a>
        <h2>Function: readFile</h2>
        
            
            
            <code>readFile(*args, **kwargs)</code>
            
            <br>
            
            
            Overloaded function.
            
            <br>
            
            
            
            
            <br>
            
            
            1. readFile(filename: str) -&gt; Tuple[vipster.Molecule, Optional[Vipster::Parameter], List[vipster.__BaseData]]
            
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            <br>
            
            
            2. readFile(filename: str, format: Vipster::Plugin) -&gt; Tuple[vipster.Molecule, Optional[Vipster::Parameter], List[vipster.__BaseData]]
            
            <br>
            
        
        
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    <div class="content-text highlight">
        <a class="anchor" id="writeFile"></a>
        <h2>Function: writeFile</h2>
        
            
            
            <code>writeFile(filename: str, format: Vipster::Plugin, molecule: vipster.Molecule, index: Optional[int] = None, param: Optional[Vipster::Parameter] = None, config: Optional[Vipster::Preset] = None) -&gt; bool</code>
            
            <br>
            
        
        
    </div>

    <div class="content-text highlight">
        <a class="anchor" id="writeString"></a>
        <h2>Function: writeString</h2>
        
            
            
            <code>writeString(format: Vipster::Plugin, molecule: vipster.Molecule, index: Optional[int] = None, param: Optional[Vipster::Parameter] = None, config: Optional[Vipster::Preset] = None) -&gt; str</code>
            
            <br>
            
        
        
    </div>




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